CID 11029774

(3s)-3-hydroxypyrrolidin-2-one

Structural Information

Molecular Formula
C4H7NO2
SMILES
C1CNC(=O)[C@H]1O
InChI
InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKey
FRKGSNOMLIYPSH-VKHMYHEASA-N
Compound name
(3S)-3-hydroxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1066
Patents

101.047676 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 117.9
[M+Na]+ 124.03689 125.6
[M-H]- 100.04040 117.5
[M+NH4]+ 119.08150 140.1
[M+K]+ 140.01083 124.1
[M+H-H2O]+ 84.044936 113.0
[M+HCOO]- 146.04588 138.2
[M+CH3COO]- 160.06153 158.6
[M+Na-2H]- 122.02234 122.7
[M]+ 101.04713 113.0
[M]- 101.04822 113.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe